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CAS 20445-33-4 (S)-(+)-α-Methoxy-α-(trifluoromethyl)phenylacetyl Chloride (ca. 18% in Dichloromethane, ca. 1.0mol/L) [for Determination of the optical purity of Alcohols and Amines] molecular structure lightbox
CAS RN: 20445-33-4

(S)-(+)-α-Methoxy-α-(trifluoromethyl)phenylacetyl Chloride (ca. 18% in Dichloromethane, ca. 1.0mol/L) [for Determination of the optical purity of Alcohols and Amines]

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250522 100mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20251128 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250124 250mg In stock Shanghai Inquiry
Batchno.20251207 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260601 100mg In stock Shanghai, Shandong Inquiry
Batchno.20250702 1g In stock Shanghai Inquiry
Batchno.20250926 250mg In stock Shanghai, Hebei Inquiry
Batchno.20250124 50mg In stock Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260513 50mg In stock Shanghai Inquiry
  • Product code: SSC-096184
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g, 5g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 20445-33-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 0 Out of Stock Shanghai Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

20445-33-4 / (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride

Standard CAS: 20445-33-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20445-33-4
Multi CAS
No
Molecular Formula
C10H8ClF3O2
Molecular Weight
252.620000
Exact Mass
252.016492
SMILES
CO[C@](C1=CC=CC=C1)(C(=O)Cl)C(F)(F)F
InChI
InChI=1S/C10H8ClF3O2/c1-16-9(8(11)15,10(12,13)14)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m1/s1
InChIKey
PAORVUMOXXAMPL-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
52.04
TPSA
26.3

LogP / Solubility

WLOGP
2.86
MLOGP
2.52
XLogP3
3.3
Consensus LogP
2.89
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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